Information card for entry 2022085

Structure parameters

• Chemical name: Poly[tris[μ~2~-1,4-bis(1<i>H</i>-imidazol-1-yl)benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^]bis[μ~3~-5-(hydroxymethyl)isophthalato-κ^2^<i>O</i>^1^:<i>O</i>^3^:<i>O</i>^5^]dicobalt(II)]
• Formula: C54 H42 Co2 N12 O10
• Calculated formula: C54 H42 Co2 N12 O10
• Title of publication: 3D semiconducting Co‒MOFs based on 5-(hydroxymethyl)isophthalic acid and imidazole derivatives: syntheses and crystal structures
• Authors of publication: Xu, Zhong-Xuan; Ou, Chun-Yan; Zhang, Chun-Xue
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 5
• a: 8.0331 ± 0.0004 Å
• b: 17.6045 ± 0.0011 Å
• c: 17.6523 ± 0.0009 Å
• α: 90°
• β: 98.077 ± 0.004°
• γ: 90°
• Cell volume: 2471.6 ± 0.2 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0628
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.0966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes